(3R)-3-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

C18H20N2O4S — CID 9187706

IUPAC(3R)-3-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(OCCNS(=O)(=O)c2ccc3c(c2)[C@@H](C)C(=O)N3)cc1
InChIInChI=1S/C18H20N2O4S/c1-12-3-5-14(6-4-12)24-10-9-19-25(22,23)15-7-8-17-16(11-15)13(2)18(21)20-17/h3-8,11,13,19H,9-10H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyAUOPQVJBYMICBK-CYBMUJFWSA-N
MW360.44 g/mol
LogP2.41
Rot. Bonds6

About (3R)-3-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

(3R)-3-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 9187706) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is (3R)-3-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID9187706
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name(3R)-3-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(OCCNS(=O)(=O)c2ccc3c(c2)[C@@H](C)C(=O)N3)cc1
InChIInChI=1S/C18H20N2O4S/c1-12-3-5-14(6-4-12)24-10-9-19-25(22,23)15-7-8-17-16(11-15)13(2)18(21)20-17/h3-8,11,13,19H,9-10H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyAUOPQVJBYMICBK-CYBMUJFWSA-N
XLogP2.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9125333
(3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide
CID 9186065
N-methyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]acetamide
CID 9189795
(3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9186449
(3S)-N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188688
2-hydroxy-3-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
CID 66165853
N-[2-(4-methylphenoxy)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 113099181
(3S)-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9031927
4-methyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 26543228
N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide
CID 2604521
4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 110405960
methyl (2R,3S)-3-methyl-2-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]pentanoate
CID 9188460

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of (3R)-3-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 9187706) is (3R)-3-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (3R)-3-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (3R)-3-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is Cc1ccc(OCCNS(=O)(=O)c2ccc3c(c2)[C@@H](C)C(=O)N3)cc1.
What is the InChIKey of (3R)-3-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is AUOPQVJBYMICBK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-12-3-5-14(6-4-12)24-10-9-19-25(22,23)15-7-8-17-16(11-15)13(2)18(21)20-17/h3-8,11,13,19H,9-10H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (3R)-3-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
(3R)-3-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 9187706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).